SCHEMBL7211648

SCHEMBL7211648

O=C(O)CC(NC(=O)C[N+]1(CCCCNc2nc3ccccc3[nH]2)C(=O)CNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.52
ITGAV P06756 19/20 0.52
ITGA2B P08514 2/20 0.50
ITGB5 P18084 2/20 0.50
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7217610 0.94 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211540 0.93 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211451 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5HDAC3
SCHEMBL7217515 0.91 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7212704 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217767 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211465 0.89 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217733 0.87 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211463 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5HDAC3
SCHEMBL7216436 0.84 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.